UCSF

ZINC19470409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.52 -0.85 -100.11 1 8 -2 129 265.225 2
Mid Mid (pH 6-8) -0.98 0.23 -47.7 2 8 -1 126 266.233 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )